ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

C16H22 — CID 169166481

IUPACethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESCC.CC(C)c1ccc2c(c1)C=CC1CC21
InChIInChI=1S/C14H16.C2H6/c1-9(2)10-5-6-13-11(7-10)3-4-12-8-14(12)13;1-2/h3-7,9,12,14H,8H2,1-2H3;1-2H3
InChIKeyWSYANAQASBQBEA-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.97
Rot. Bonds1

About ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (PubChem CID 169166481) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
PubChem CID169166481
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Nameethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESCC.CC(C)c1ccc2c(c1)C=CC1CC21
InChIInChI=1S/C14H16.C2H6/c1-9(2)10-5-6-13-11(7-10)3-4-12-8-14(12)13;1-2/h3-7,9,12,14H,8H2,1-2H3;1-2H3
InChIKeyWSYANAQASBQBEA-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (CID 169166481) is ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is CC.CC(C)c1ccc2c(c1)C=CC1CC21.
What is the InChIKey of ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The InChIKey is WSYANAQASBQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C2H6/c1-9(2)10-5-6-13-11(7-10)3-4-12-8-14(12)13;1-2/h3-7,9,12,14H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene has a molecular weight of 214.35 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 169166481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).